CAS RN: 1415928-84-5
1-(3-fluoro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
- Product code: SSC-051958
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1415928-84-5 / 1-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
Basic Information
CAS
1415928-84-5
Multi CAS
No
Molecular Formula
C16H23BFNO2
Molecular Weight
291.200000
Exact Mass
291.180587
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)N3CCCC3
InChI
InChI=1S/C16H23BFNO2/c1-15(2)16(3,4)21-17(20-15)12-9-13(18)11-14(10-12)19-7-5-6-8-19/h9-11H,5-8H2,1-4H3
InChIKey
ZVMNXGFOCHXGCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
83.56
TPSA
21.7
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-amino-4-bromo-5-fluorobenzoicacidhydrochloride
- CAS RN: 1415929-02-0
- Product Code: SSC-051959
-
tert-butyl 4-sulfamoylpiperidine-1-carboxylate
- CAS RN: 1415929-10-0
- Product Code: SSC-051960
-
1,3-dibromo-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione
- CAS RN: 1415929-76-8
- Product Code: SSC-051961
-
1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione
- CAS RN: 1415929-77-9
- Product Code: starshine_CAS1415929-77-9
- Purity/Analytical method: >99.0%
-
-
[2-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester
- CAS RN: 1415960-53-0
- Product Code: SSC-051964
![CAS 1415929-76-8 1,3-dibromo-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415929-76-8.gif)
![CAS 1415929-77-9 1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415929-77-9.gif)
![CAS 1415960-53-0 [2-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415960-53-0.gif)